N-[(4-cyanophenyl)methyl]-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide

C17H17N3O2 — CID 157019112

IUPACN-[(4-cyanophenyl)methyl]-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide
SMILESCC(C)c1[nH]c(=O)ccc1C(=O)NCc1ccc(C#N)cc1
InChIInChI=1S/C17H17N3O2/c1-11(2)16-14(7-8-15(21)20-16)17(22)19-10-13-5-3-12(9-18)4-6-13/h3-8,11H,10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyBRTQCIDMEIBBSI-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.30
Rot. Bonds4

About N-[(4-cyanophenyl)methyl]-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide

N-[(4-cyanophenyl)methyl]-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide (PubChem CID 157019112) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide
PubChem CID157019112
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-[(4-cyanophenyl)methyl]-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide
SMILESCC(C)c1[nH]c(=O)ccc1C(=O)NCc1ccc(C#N)cc1
InChIInChI=1S/C17H17N3O2/c1-11(2)16-14(7-8-15(21)20-16)17(22)19-10-13-5-3-12(9-18)4-6-13/h3-8,11H,10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyBRTQCIDMEIBBSI-UHFFFAOYSA-N
XLogP2.30
TPSA85.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-cyanophenyl)methyl]-4-propan-2-ylbenzamide
CID 46591553
N-[(4-cyanophenyl)methyl]-2,6-dimethylpyridine-3-carboxamide
CID 47283449
1-[(4-cyanophenyl)methyl]-3-propan-2-ylurea
CID 47216081
N-[(4-cyanophenyl)methyl]-2-(ethylamino)pyridine-3-carboxamide
CID 62269325
N-[(4-cyanophenyl)methyl]-2,5-dimethylfuran-3-carboxamide
CID 47161865
4-bromo-N-[(4-cyanophenyl)methyl]-2-hydroxybenzamide
CID 47466194
N-[(4-cyanophenyl)methyl]-2-methylpyridine-3-carboxamide
CID 78951088
3-chloro-N-[(4-cyanophenyl)methyl]-2-methylbenzamide
CID 107096765
N-[(4-cyanophenyl)methyl]-1H-indole-3-carboxamide
CID 60919239
2-(4-cyanophenyl)-N-[(4-methylphenyl)methyl]acetamide
CID 62403486
2-methylpropyl N-[(4-cyanophenyl)methyl]carbamate
CID 60755302
4,5-dichloro-N-[(4-cyanophenyl)methyl]-1H-pyrrole-2-carboxamide
CID 78852900

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide (CID 157019112) is N-[(4-cyanophenyl)methyl]-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide is CC(C)c1[nH]c(=O)ccc1C(=O)NCc1ccc(C#N)cc1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide?
The InChIKey is BRTQCIDMEIBBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-11(2)16-14(7-8-15(21)20-16)17(22)19-10-13-5-3-12(9-18)4-6-13/h3-8,11H,10H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-[(4-cyanophenyl)methyl]-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide?
N-[(4-cyanophenyl)methyl]-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 157019112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).